4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one

C12H20N4O2 — CID 55221569

IUPAC4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
SMILESCCCC(c1nc(O)cc(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C12H20N4O2/c1-2-3-9(16-6-4-13-5-7-16)12-14-10(17)8-11(18)15-12/h8-9,13H,2-7H2,1H3,(H2,14,15,17,18)
InChIKeyJUUGMMNZZWNPIY-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.22
Rot. Bonds4

About 4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one

4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one (PubChem CID 55221569) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
PubChem CID55221569
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
SMILESCCCC(c1nc(O)cc(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C12H20N4O2/c1-2-3-9(16-6-4-13-5-7-16)12-14-10(17)8-11(18)15-12/h8-9,13H,2-7H2,1H3,(H2,14,15,17,18)
InChIKeyJUUGMMNZZWNPIY-UHFFFAOYSA-N
XLogP0.22
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one (CID 55221569) is 4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one is CCCC(c1nc(O)cc(=O)[nH]1)N1CCNCC1.
What is the InChIKey of 4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one?
The InChIKey is JUUGMMNZZWNPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-3-9(16-6-4-13-5-7-16)12-14-10(17)8-11(18)15-12/h8-9,13H,2-7H2,1H3,(H2,14,15,17,18).
What are the key properties of 4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 55221569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).